Vitas-M small molecule compound

N'-{(E)-[4-(diethylamino)phenyl]methylidene}-2-[(5-{[(4-iodo-2-methylphenyl)amino]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]propanehydrazide

Catalog ID
STL171279
SMILES CCN(c1ccc(cc1)/C=N/NC(=O)C(Sc1nnc(n1c1ccccc1)CNc1ccc(cc1C)I)C)CC

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C30H34IN7OS MW 667.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H34IN7OS/c1-5-37(6-2)25-15-12-23(13-16-25)19-33-35-29(39)22(4)40-30-36-34-28(38(30)26-10-8-7-9-11-26)20-32-27-17-14-24(31)18-21(27)3/h7-19,22,32H,5-6,20H2,1-4H3,(H,35,39)/b33-19+
InChIKey
UODOSSWVMBPFKF-HNSNBQBZSA-N
Synonyms
752230-91-4
752230914
CCN(c1ccc(cc1)C=NNC(=O)C(Sc1nnc(n1c1ccccc1)CNc1ccc(cc1C)I)C)CC
CCN(CC)C1=CC=C(C=C1)C=NNC(=O)C(C)SC2=NN=C(N2C3=CC=CC=C3)CNC4=C(C=C(C=C4)I)C
InChI=1SC30H34IN7OSc1537(62)25151223(131625)19333529(39)22(4)4030363428(38(30)26108791126)203227171424(31)1821(27)3h7192232H5620H214H3(H3539)b3319+
MFCD01431153
N((E)(4(diethylamino)phenyl)methylidene)2((5(((4iodo2methylphenyl)amino)methyl)4phenyl4H124triazol3yl)sulfanyl)propanehydrazide
N((E)(4(diethylamino)phenyl)methylideneamino)2((5((4iodo2methylanilino)methyl)4phenyl124triazol3yl)sulfanyl)propanamide
ZINC000150391622
ZINC000150391626

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Available files

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